2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate - CAS 1810070-20-2
Catalog: |
BB059259 |
Product Name: |
2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate |
CAS: |
1810070-20-2 |
Synonyms: |
2-Methyl-2,6-diazaspiro[3.3]heptane oxalate; 2-methyl-2,6-diazaspiro[3.3]heptane; oxalic acid; 2-methyl-2,6-diazaspiro[3.3]heptane; oxalic acid |
IUPAC Name: | 2-methyl-2,6-diazaspiro[3.3]heptaneoxalic acid |
Description: | 2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate is used as a reactant in the preparation of amido-substituted cyclohexane derivatives as anticancer agents. |
Molecular Weight: | 112.17 + 90.03 |
Molecular Formula: | C6H12N2·C2H2O4 |
Canonical SMILES: | CN1CC2(C1)CNC2.C(=O)(C(=O)O)O |
InChI: | InChI=1S/C6H12N2.C2H2O4/c1-8-4-6(5-8)2-7-3-63-1(4)2(5)6/h7H,2-5H2,1H3(H,3,4)(H,5,6) |
InChI Key: | IBNDLDKHLKDDRZ-UHFFFAOYSA-N |
References: | Els, K., et al. PCT Int. Appl. (2016), WO 2016177658 A1 20161110. |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.09535693 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.09535693 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 89.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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